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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50544935'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50544935
PNG
(CHEMBL4638000)
Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCCSc3ccncc3)cc2)cc1OC
Show InChI InChI=1S/C28H29N3O4S2/c1-33-24-10-5-20(17-25(24)34-2)18-27(32)31-28-30-19-26(37-28)21-6-8-22(9-7-21)35-15-3-4-16-36-23-11-13-29-14-12-23/h5-14,17,19H,3-4,15-16,18H2,1-2H3,(H,30,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylcholine iodide as substrate by spectrophotometry based Ellman's method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126985
BindingDB Entry DOI: 10.7270/Q2QR51QF
More data for this
Ligand-Target Pair